tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate

C16H30N2O3 — CID 107095247

IUPACtert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
SMILESCC1CC(NCC2CCOC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-9-14(17-10-13-6-8-20-11-13)5-7-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyRWFCNVRGHFBSJT-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.40
Rot. Bonds3

About tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate

tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate (PubChem CID 107095247) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
PubChem CID107095247
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
SMILESCC1CC(NCC2CCOC2)CCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H30N2O3/c1-12-9-14(17-10-13-6-8-20-11-13)5-7-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3
InChIKeyRWFCNVRGHFBSJT-UHFFFAOYSA-N
XLogP2.40
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-methyl-4-(piperidin-4-ylmethylamino)piperidine-1-carboxylate
CID 107255197
tert-butyl 4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate
CID 60920457
tert-butyl 2-methyl-4-[(1-methylpiperidin-3-yl)methylamino]piperidine-1-carboxylate
CID 107255145
tert-butyl 2-methyl-4-(oxan-4-ylamino)piperidine-1-carboxylate
CID 107094474
tert-butyl (2S,4R)-2-methyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 95913489
tert-butyl 4-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 79698015
tert-butyl 2-[(oxolan-3-ylmethylamino)methyl]piperidine-1-carboxylate
CID 103896929
tert-butyl 3-[[(3-aminocyclopentyl)amino]methyl]morpholine-4-carboxylate
CID 107249666
tert-butyl 2-[2-(oxolan-3-ylmethylamino)ethyl]pyrrolidine-1-carboxylate
CID 107244402
tert-butyl 4-(cycloheptylamino)-2-methylpiperidine-1-carboxylate
CID 107094439
2,2-dimethyl-1-[4-(oxolan-3-ylmethylamino)piperidin-1-yl]propan-1-one
CID 43747736
tert-butyl (3S)-3-(oxan-4-ylmethylamino)piperidine-1-carboxylate
CID 84592299

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate (CID 107095247) is tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate is CC1CC(NCC2CCOC2)CCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
The InChIKey is RWFCNVRGHFBSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-12-9-14(17-10-13-6-8-20-11-13)5-7-18(12)15(19)21-16(2,3)4/h12-14,17H,5-11H2,1-4H3.
What are the key properties of tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate?
tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-methyl-4-(oxolan-3-ylmethylamino)piperidine-1-carboxylate is sourced from PubChem (CID 107095247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).